3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide

C21H32N2O4 — CID 108556193

IUPAC3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O4/c1-15(2)17-5-7-19(8-6-17)27-16(3)21(25)23-12-9-18(10-13-23)22-20(24)11-14-26-4/h5-8,15-16,18H,9-14H2,1-4H3,(H,22,24)
InChIKeyNARRVUXNILXLJY-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.72
Rot. Bonds8

About 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide

3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide (PubChem CID 108556193) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
PubChem CID108556193
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O4/c1-15(2)17-5-7-19(8-6-17)27-16(3)21(25)23-12-9-18(10-13-23)22-20(24)11-14-26-4/h5-8,15-16,18H,9-14H2,1-4H3,(H,22,24)
InChIKeyNARRVUXNILXLJY-UHFFFAOYSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide (CID 108556193) is 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide is COCCC(=O)NC1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is NARRVUXNILXLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-15(2)17-5-7-19(8-6-17)27-16(3)21(25)23-12-9-18(10-13-23)22-20(24)11-14-26-4/h5-8,15-16,18H,9-14H2,1-4H3,(H,22,24).
What are the key properties of 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide?
3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108556193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).